3-amino-N-(3,4-dipropoxyphenyl)benzamide

C19H24N2O3 — CID 119679445

IUPAC3-amino-N-(3,4-dipropoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cccc(N)c2)cc1OCCC
InChIInChI=1S/C19H24N2O3/c1-3-10-23-17-9-8-16(13-18(17)24-11-4-2)21-19(22)14-6-5-7-15(20)12-14/h5-9,12-13H,3-4,10-11,20H2,1-2H3,(H,21,22)
InChIKeyUSPGRLQEZKQDJI-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.10
Rot. Bonds8

About 3-amino-N-(3,4-dipropoxyphenyl)benzamide

3-amino-N-(3,4-dipropoxyphenyl)benzamide (PubChem CID 119679445) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-amino-N-(3,4-dipropoxyphenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dipropoxyphenyl)benzamide
PubChem CID119679445
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-amino-N-(3,4-dipropoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cccc(N)c2)cc1OCCC
InChIInChI=1S/C19H24N2O3/c1-3-10-23-17-9-8-16(13-18(17)24-11-4-2)21-19(22)14-6-5-7-15(20)12-14/h5-9,12-13H,3-4,10-11,20H2,1-2H3,(H,21,22)
InChIKeyUSPGRLQEZKQDJI-UHFFFAOYSA-N
XLogP4.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-(3,4-dipropoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630389
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide
CID 29216719
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 24643722
N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide
CID 120569287
N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9376524
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dipropoxyphenyl)benzamide?
The IUPAC name of 3-amino-N-(3,4-dipropoxyphenyl)benzamide (CID 119679445) is 3-amino-N-(3,4-dipropoxyphenyl)benzamide.
What is the SMILES notation for 3-amino-N-(3,4-dipropoxyphenyl)benzamide?
The canonical SMILES for 3-amino-N-(3,4-dipropoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2cccc(N)c2)cc1OCCC.
What is the InChIKey of 3-amino-N-(3,4-dipropoxyphenyl)benzamide?
The InChIKey is USPGRLQEZKQDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-10-23-17-9-8-16(13-18(17)24-11-4-2)21-19(22)14-6-5-7-15(20)12-14/h5-9,12-13H,3-4,10-11,20H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-(3,4-dipropoxyphenyl)benzamide?
3-amino-N-(3,4-dipropoxyphenyl)benzamide has a molecular weight of 328.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dipropoxyphenyl)benzamide is sourced from PubChem (CID 119679445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).